67 lines
2.3 KiB
Python
67 lines
2.3 KiB
Python
# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack.package import *
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class PyAbipy(PythonPackage):
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"""Python package to automate ABINIT calculations and analyze
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the results."""
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homepage = "https://github.com/abinit/abipy"
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pypi = "abipy/abipy-0.2.0.tar.gz"
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version("0.2.0", sha256="c72b796ba0f9ea4299eac3085bede092d2652e9e5e8074d3badd19ef7b600792")
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variant("gui", default=False, description="Build the GUI")
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variant("ipython", default=False, description="Build IPython support")
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extends(
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"python",
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ignore=(
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"bin/("
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"feff_.*|gaussian_analyzer|get_environment|html2text|"
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"nc3tonc4|nc4tonc3|ncinfo|pmg|pydii|tabulate|tqdm"
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")"
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),
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)
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depends_on("python@2.7:")
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depends_on("py-setuptools", type="build")
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depends_on("py-cython", type="build")
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depends_on("py-six", type=("build", "run"))
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depends_on("py-prettytable", type=("build", "run"))
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depends_on("py-tabulate", type=("build", "run"))
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depends_on("py-apscheduler@2.1.0", type=("build", "run"))
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depends_on("py-pydispatcher@2.0.5:", type=("build", "run"))
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depends_on("py-tqdm", type=("build", "run"))
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depends_on("py-html2text", type=("build", "run"))
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depends_on("py-pyyaml@3.11:", type=("build", "run"))
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depends_on("py-pandas", type=("build", "run"))
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depends_on("py-numpy@1.9:", type=("build", "run"))
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depends_on("py-scipy@0.14:", type=("build", "run"))
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depends_on("py-spglib", type=("build", "run"))
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depends_on("py-pymatgen@4.7.2:", type=("build", "run"))
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depends_on("py-netcdf4", type=("build", "run"))
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depends_on("py-matplotlib@1.5:", type=("build", "run"))
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depends_on("py-seaborn", type=("build", "run"))
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depends_on("py-wxpython", type=("build", "run"), when="+gui")
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depends_on("py-wxmplot", type=("build", "run"), when="+gui")
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depends_on("py-ipython", type=("build", "run"), when="+ipython")
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depends_on("py-jupyter", type=("build", "run"), when="+ipython")
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depends_on("py-nbformat", type=("build", "run"), when="+ipython")
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def install_options(self, spec, prefix):
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args = []
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if "+ipython" in spec:
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args.append("--with-ipython")
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return args
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